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Unbalanced Diffusion Schrödinger Bridge
Matteo Pariset · Ya-Ping Hsieh · Charlotte Bunne · Andreas Krause · Valentin De Bortoli

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in New Frontiers in Learning, Control, and Dynamical Systems »
Event URL: https://openreview.net/forum?id=Vehxa7mBU9 »

Schrödinger bridges (SBs) provide an elegant framework for modeling the temporal evolution of populations in physical, chemical, or biological systems. Such natural processes are commonly subject to changes in population size over time due to the emergence of new species or birth and death events. However, existing neural parameterizations of SBs such as diffusion Schrödinger bridges ( DSBs) are restricted to settings in which the endpoints of the stochastic process are both probability measures and assume conservation of mass constraints. To address this limitation, we introduce unbalanced DSBs which model the temporal evolution of marginals with arbitrary finite mass. This is achieved by deriving the time reversal of stochastic differential equations (SDEs) with killing and birth terms. We present two novel algorithmic schemes that comprise a scalable objective function for training unbalanced DSBs and provide a theoretical analysis alongside challenging applications on predicting heterogeneous molecular single-cell responses to various cancer drugs and simulating the emergence and spread of new viral variants.

Author Information

Matteo Pariset (ETHZ - ETH Zurich)
Ya-Ping Hsieh (ETH)
Charlotte Bunne (ETH Zurich)
Andreas Krause (ETH Zurich)
Andreas Krause

Andreas Krause is a Professor of Computer Science at ETH Zurich, where he leads the Learning & Adaptive Systems Group. He also serves as Academic Co-Director of the Swiss Data Science Center and Chair of the ETH AI Center, and co-founded the ETH spin-off LatticeFlow. Before that he was an Assistant Professor of Computer Science at Caltech. He received his Ph.D. in Computer Science from Carnegie Mellon University (2008) and his Diplom in Computer Science and Mathematics from the Technical University of Munich, Germany (2004). He is a Max Planck Fellow at the Max Planck Institute for Intelligent Systems, an ELLIS Fellow, a Microsoft Research Faculty Fellow and a Kavli Frontiers Fellow of the US National Academy of Sciences. He received the Rössler Prize, ERC Starting Investigator and ERC Consolidator grants, the German Pattern Recognition Award, an NSF CAREER award as well as the ETH Golden Owl teaching award. His research has received awards at several premier conferences and journals, including the ACM SIGKDD Test of Time award 2019 and the ICML Test of Time award 2020. Andreas Krause served as Program Co-Chair for ICML 2018, and currently serves as General Chair for ICML 2023 and as Action Editor for the Journal of Machine Learning Research.

Valentin De Bortoli (CNRS, ENS Ulm (projet NORIA))

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